Structure Database (LMSD)

Common Name
Meliternatin
Systematic Name
Synonyms
LM ID
LMPK12113025
Formula
C19H14O8
Exact Mass
Calculate m/z
370.06887
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
FMZYQDFWORSVBZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H14O8/c1-21-18-14-12(6-13-17(18)26-8-25-13)27-16(19(22-2)15(14)20)9-3-4-10-11(5-9)24-7-23-10/h3-6H,7-8H2,1-2H3
SMILES (Click to copy)
C12OCOC1=C(OC)C1C(=O)C(OC)=C(C3C=CC4OCOC=4C=3)OC=1C=2

Other Databases

METABOLOMICS ID
FL5FECNS0044
PubChem CID
386320

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 5
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 291.96
Topological Polar Surface Area 93.87
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
logP 3.83
Molar Refractivity 93.38

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Updated at
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